2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine

C14H12ClF2NO — CID 63879326

IUPAC2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
SMILESNCC(Oc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-12-7-11(4-5-13(12)17)19-14(8-18)9-2-1-3-10(16)6-9/h1-7,14H,8,18H2
InChIKeyXAKFINFWFFPCSY-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.70
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine

2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine (PubChem CID 63879326) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
PubChem CID63879326
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
SMILESNCC(Oc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-12-7-11(4-5-13(12)17)19-14(8-18)9-2-1-3-10(16)6-9/h1-7,14H,8,18H2
InChIKeyXAKFINFWFFPCSY-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 55020254
2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine
CID 55194152
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine
CID 63879499
2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107168741
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63458293
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine (CID 63879326) is 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine is NCC(Oc1ccc(F)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine?
The InChIKey is XAKFINFWFFPCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-12-7-11(4-5-13(12)17)19-14(8-18)9-2-1-3-10(16)6-9/h1-7,14H,8,18H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine?
2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine has a molecular weight of 283.71 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 63879326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).